(3β)-17-Cyanoandrosta-5,16-Dien-3-Yl Acetate

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Formula C22H29NO2
IUPAC Name [(3s,8r,9s,10r,13s,14s)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 339.471 g·mol−1
Heat of Formation -306.2 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 438.0 Å 3
Surface Area 355.27 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 17-cyano-5,16-androstadien-3beta-ol-3-acetate
  • 5,16-androstadiene-17-nitrile-3beta-ol-3-acetate
  • 5,16-anoa
  • [(3s,8r,9s,10r,13s,14s)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,8r,9s,10r,13s,14s)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,8r,9s,10r,13s,14s)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • androsta-5,16-diene-17-carbonitrile, 3-(acetyloxy)-, (3beta)-
CAS Number(s)
  • 19590-22-8
InChIKey HCTQIFCJBHHREQ-KKFDQILXSA-N
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